butan-2-yl 2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: butan-2-yl 2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: sec-butyl 2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-[6-(1-imidazolyl)-4-pyrimidinyl]-1-piperazinecarboxylic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(6-imidazol-1-ylpyrimidin-4-yl)-2-(piperonylcarbamoyl)piperazine-1-carboxylic acid sec-butyl ester Formula: C25H29N7O5 MolecularWeight: 507.54166

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)N1CCN(CC1C(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC=NC(=C4)N5C=CN=C5

Isomeric SMILES

CCC(C)OC(=O)N1CCN(CC1C(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC=NC(=C4)N5C=CN=C5

InChI

InChI=1S/C25H29N7O5/c1-3-17(2)37-25(34)32-9-8-30(22-11-23(29-14-28-22)31-7-6-26-15-31)13-19(32)24(33)27-12-18-4-5-20-21(10-18)36-16-35-20/h4-7,10-11,14-15,17,19H,3,8-9,12-13,16H2,1-2H3,(H,27,33)